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stellallastellalla 

GOT problem in the TG calculation script

After fixed the problem has been mentioned in the previous thread,my script runs well.
However the outcomes is not as well as I expected.
I get the same average density under the temperature i settled,from 298K to 698K.And if I run my model manually, the density is different. The manually procedure include the NVT,0.1GPA,TEMPERATURE, and then NPTcontrol .
And i've noticed cause i hadn't set the tortion ,so the script skip the NVT equiblation.
so i am wondering is that the reason why i get the unexpected results?And how could i fixed it?
Also ,i 've changed some other conditongs,in order to save time, i only choose the last few frames to do the calculate,and the velocity setteing I changed it to Random.
my English isn't good,if there is any problems in figure out my questions,please let me know